9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile

C30H10F4N4 — CID 154028917

IUPAC9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile
SMILESN#CC(C#N)=C1c2cc(C#N)c(-c3c(F)cccc3F)cc2-c2cc(-c3c(F)cccc3F)c(C#N)cc21
InChIInChI=1S/C30H10F4N4/c31-24-3-1-4-25(32)29(24)18-9-20-21-10-19(30-26(33)5-2-6-27(30)34)16(12-36)8-23(21)28(17(13-37)14-38)22(20)7-15(18)11-35/h1-10H
InChIKeyQSZVFHWGXIJHJK-UHFFFAOYSA-N
MW502.43 g/mol
LogP7.15
Rot. Bonds2

About 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile

9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile (PubChem CID 154028917) has the molecular formula C30H10F4N4 and a molecular weight of 502.43 g/mol. Its IUPAC name is 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile.

Molecular Properties

Compound Name9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile
PubChem CID154028917
Molecular FormulaC30H10F4N4
Molecular Weight502.43 g/mol
Exact Mass502.08
IUPAC Name9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile
SMILESN#CC(C#N)=C1c2cc(C#N)c(-c3c(F)cccc3F)cc2-c2cc(-c3c(F)cccc3F)c(C#N)cc21
InChIInChI=1S/C30H10F4N4/c31-24-3-1-4-25(32)29(24)18-9-20-21-10-19(30-26(33)5-2-6-27(30)34)16(12-36)8-23(21)28(17(13-37)14-38)22(20)7-15(18)11-35/h1-10H
InChIKeyQSZVFHWGXIJHJK-UHFFFAOYSA-N
XLogP7.15
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.43
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

9-(dicyanomethylidene)-2-(2,6-dimethylphenyl)-7-[2-fluoro-6-(trifluoromethyl)phenyl]fluorene-3,6-dicarbonitrile
CID 166814063
9-(dicyanomethylidene)-3,6-bis[4-(trifluoromethoxy)phenyl]fluorene-2,7-dicarbonitrile
CID 154028905
10,12-bis(dicyanomethylidene)-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene-1,7-dicarbonitrile
CID 90206157
9-(dicyanomethylidene)-3,6-bis(trifluoromethoxy)fluorene-2,7-dicarbonitrile
CID 146535611
2-[3,6-bis(4-cyano-3-fluorophenyl)-2,7-bis(trifluoromethoxy)fluoren-9-ylidene]propanedinitrile
CID 146535483
(9Z)-9-[cyano(isocyano)methylidene]-3,6-bis(2-fluorophenyl)-7-isocyanofluorene-2-carbonitrile
CID 140942918
2-[2,7-bis(trifluoromethoxy)-3,6-bis(2,4,6-trifluorophenyl)fluoren-9-ylidene]propanedinitrile
CID 166814027
2-[12-(dicyanomethylidene)-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]propanedinitrile
CID 88881733
2-[34-(dicyanomethylidene)-7,7,24,24-tetramethyl-17-nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaenylidene]propanedinitrile
CID 102236405
2-[12-(dicyanomethylidene)-2,8-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]propanedinitrile
CID 88881721
3-fluoro-2-(2-fluoro-5-iodophenyl)benzonitrile
CID 58349892
2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
CID 134623799

Frequently Asked Questions

What is the IUPAC name of 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile?
The IUPAC name of 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile (CID 154028917) is 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile.
What is the SMILES notation for 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile?
The canonical SMILES for 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile is N#CC(C#N)=C1c2cc(C#N)c(-c3c(F)cccc3F)cc2-c2cc(-c3c(F)cccc3F)c(C#N)cc21.
What is the InChIKey of 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile?
The InChIKey is QSZVFHWGXIJHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H10F4N4/c31-24-3-1-4-25(32)29(24)18-9-20-21-10-19(30-26(33)5-2-6-27(30)34)16(12-36)8-23(21)28(17(13-37)14-38)22(20)7-15(18)11-35/h1-10H.
What are the key properties of 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile?
9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile has a molecular weight of 502.43 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile is sourced from PubChem (CID 154028917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).